methyl 4-(4-carbamimidoyl-3-methoxy-5-pentoxy-phenyl)benzoate hydrochloride

Systemtic Name: methyl 4-(4-carbamimidoyl-3-methoxy-5-pentoxy-phenyl)benzoate hydrochloride Openeye Name: methyl 4-(4-carbamimidoyl-3-methoxy-5-pentoxy-phenyl)benzoate hydrochloride CAS Name: 4-(4-carbamimidoyl-3-methoxy-5-pentoxyphenyl)benzoic acid methyl ester hydrochloride IUPAC Name: methyl 4-(4-carbamimidoyl-3-methoxy-5-pentoxyphenyl)benzoate hydrochloride Traditional Name: 4-(4-amidino-3-amoxy-5-methoxy-phenyl)benzoic acid methyl ester hydrochloride Formula: C21H27ClN2O4 MolecularWeight: 406.90308

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC(=CC(=C1C(=N)N)OC)C2=CC=C(C=C2)C(=O)OC.Cl

Isomeric SMILES

CCCCCOC1=CC(=CC(=C1C(=N)N)OC)C2=CC=C(C=C2)C(=O)OC.Cl

InChI

InChI=1S/C21H26N2O4.ClH/c1-4-5-6-11-27-18-13-16(12-17(25-2)19(18)20(22)23)14-7-9-15(10-8-14)21(24)26-3;/h7-10,12-13H,4-6,11H2,1-3H3,(H3,22,23);1H